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CHEBI:157622 - buzepide(1+)

ChEBI IDCHEBI:157622
ChEBI Namebuzepide(1+)
Stars
DefinitionA tertiary ammonium ion that is the conjugate acid of buzepide, resulting from the protonation of the azepane tertiary amino group. Major microspecies at pH 7.3.
Last Modified9 October 2020
SubmitterAdnan
DownloadsMolfile
FormulaC22H29N2O
Net Charge+1
Average Mass337.487
Monoisotopic Mass337.22744
SMILESNC(=O)C(CC[NH+]1CCCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28N2O/c23-21(25)22(19-11-5-3-6-12-19,20-13-7-4-8-14-20)15-18-24-16-9-1-2-10-17-24/h3-8,11-14H,1-2,9-10,15-18H2,(H2,23,25)/p+1
InChIKeySLJXUJZUTPFXRJ-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
buzepide(1+) (CHEBI:157622) is a tertiary ammonium ion (CHEBI:137982)
buzepide(1+) (CHEBI:157622) is conjugate acid of buzepide (CHEBI:157619)
Incoming Relation(s)
buzepide metiodide (CHEBI:135429) has part buzepide(1+) (CHEBI:157622)
buzepide (CHEBI:157619) is conjugate base of buzepide(1+) (CHEBI:157622)
IUPAC Name 
1-(4-amino-4-oxo-3,3-diphenylbutyl)azepanium
Synonyms  Source
1-(4-amino-4-oxo-3,3-diphenylbutyl)azepan-1-iumIUPAC
buzepide cationChEBI